ChemSpider 2D Image | 4-(Adamantan-1-yl)-1-butanethiol | C14H24S

4-(Adamantan-1-yl)-1-butanethiol

  • Molecular FormulaC14H24S
  • Average mass224.405 Da
  • Monoisotopic mass224.159866 Da
  • ChemSpider ID71113553

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-(Adamantan-1-yl)-1-butanethiol [ACD/IUPAC Name]
4-(Adamantan-1-yl)-1-butanethiol [French] [ACD/IUPAC Name]
4-(Adamantan-1-yl)-1-butanthiol [German] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-butanethiol [ACD/Index Name]
2228593-81-3 [RN]
4-(adamantan-1-yl)butane-1-thiol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 314.0±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.3±3.0 kJ/mol
Flash Point: 127.5±9.5 °C
Index of Refraction: 1.540
Molar Refractivity: 68.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4702.09
ACD/KOC (pH 5.5): 14798.51
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 4698.27
ACD/KOC (pH 7.4): 14786.46
Polar Surface Area: 39 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 218.8±3.0 cm3

Click to predict properties on the Chemicalize site


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